SCHEMBL18291391

SCHEMBL18291391

Cc1ccc(CN2CCOCC2(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.47
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GRM2 Q14416 1/20 0.42
NAMPT P43490 1/20 0.39
VNN1 O95497 2/20 0.36
LCK P06239 1/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
GRM5 P41594 2/20 0.34
CHRM1 P11229 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18291608 0.85 PDE1B (0.44) PDE1BJAK2JAK1GRM2GABRA1
SCHEMBL20037928 0.85 PDE1B (0.46) PDE1BJAK2JAK1GRM2LCK
SCHEMBL20037606 0.84 PDE1B (0.46) PDE1BJAK2JAK1GRM2LCK
SCHEMBL20249170 0.83 PDE1B (0.43) PDE1BJAK2JAK1GRM2NAMPT
SCHEMBL392141 0.76 HRH3 (0.56)
SCHEMBL6132960 0.76 JAK2 (0.44) PDE1BJAK2JAK1GRM2GAA
SCHEMBL23106917 0.75 FLT3 (0.43) PRMT5WDR77GABRA1GABRA5CHRM1
SCHEMBL18291378 0.71 HRH3 (0.53) PDE1B
SCHEMBL27083845 0.71 LIPG (0.47) PDE1BJAK2JAK1GRM2
SCHEMBL18291445 0.71 PRMT5 (0.39) VNN1PRMT5WDR77GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed